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141679-51-8 | 4-Isoxazolebutanamide
CAS No: 141679-51-8 Catalog No: AG001GUV MDL No:
Product Description
Catalog Number:
AG001GUV
Chemical Name:
4-Isoxazolebutanamide
CAS Number:
141679-51-8
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
4-(1,2-oxazol-4-yl)butanamide
InChI:
InChI=1S/C7H10N2O2/c8-7(10)3-1-2-6-4-9-11-5-6/h4-5H,1-3H2,(H2,8,10)
InChI Key:
AFZHRIWJQKJEDK-UHFFFAOYSA-N
SMILES:
NC(=O)CCCc1conc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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